USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ -161:sc= -0.301 (180deg=-0.815) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.034 X(o=-0.34,f=-0.54) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -1.69 K(o=-1.9,f=-2.9) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -130:sc= -0.191 (180deg=-2.43!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.64 K(o=-1.6,f=-9.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0551 K(o=-0.055,f=-0.96) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00954) USER MOD Single : A 54 GLN : amide:sc= -0.0675 K(o=-0.067,f=-0.93) USER MOD Single : A 63 HIS : no HD1:sc= -2.99! C(o=-3!,f=-2.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -136:sc= -3.92! (180deg=-6.54!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00297) USER MOD Single : A 90 ASN : amide:sc= -1.7 X(o=-1.7,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -1.666 -1.557 8.070 1.00 0.00 N ATOM 152 CA TRP A 14 -0.524 -0.651 8.114 1.00 0.00 C ATOM 153 C TRP A 14 -0.700 0.393 9.212 1.00 0.00 C ATOM 154 O TRP A 14 0.278 0.912 9.749 1.00 0.00 O ATOM 155 CB TRP A 14 -0.342 0.040 6.762 1.00 0.00 C ATOM 156 CG TRP A 14 -1.569 0.761 6.293 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.505 0.300 5.412 1.00 0.00 C ATOM 158 CD2 TRP A 14 -1.991 2.074 6.679 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.483 1.247 5.227 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.192 2.344 5.994 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.473 3.046 7.539 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.879 3.545 6.143 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.156 4.239 7.685 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.349 4.480 6.990 1.00 0.00 C ATOM 0 HA TRP A 14 0.366 -1.239 8.336 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.483 0.749 6.833 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.060 -0.704 6.017 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.480 -0.667 4.931 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.295 1.149 4.617 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.555 2.868 8.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.799 3.733 5.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.764 4.998 8.346 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.860 5.422 7.126 1.00 0.00 H new ATOM 175 N GLU A 15 -1.953 0.695 9.540 1.00 0.00 N ATOM 176 CA GLU A 15 -2.255 1.677 10.574 1.00 0.00 C ATOM 177 C GLU A 15 -1.771 1.197 11.939 1.00 0.00 C ATOM 178 O GLU A 15 -1.516 2.000 12.838 1.00 0.00 O ATOM 179 CB GLU A 15 -3.759 1.953 10.623 1.00 0.00 C ATOM 180 CG GLU A 15 -4.576 0.785 11.148 1.00 0.00 C ATOM 181 CD GLU A 15 -5.979 0.749 10.574 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.778 1.651 10.902 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.278 -0.182 9.797 1.00 0.00 O ATOM 0 H GLU A 15 -2.774 0.274 9.105 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.731 2.600 10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.940 2.824 11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.106 2.207 9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.065 -0.148 10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.634 0.846 12.235 1.00 0.00 H new ATOM 190 N LEU A 16 -1.647 -0.117 12.088 1.00 0.00 N ATOM 191 CA LEU A 16 -1.194 -0.706 13.343 1.00 0.00 C ATOM 192 C LEU A 16 0.242 -0.294 13.651 1.00 0.00 C ATOM 193 O LEU A 16 0.598 -0.070 14.808 1.00 0.00 O ATOM 194 CB LEU A 16 -1.296 -2.231 13.280 1.00 0.00 C ATOM 195 CG LEU A 16 -2.710 -2.812 13.339 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.671 -4.326 13.204 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.399 -2.408 14.635 1.00 0.00 C ATOM 0 H LEU A 16 -1.854 -0.795 11.355 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.838 -0.337 14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.824 -2.569 12.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.719 -2.648 14.105 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.283 -2.408 12.505 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.686 -4.721 13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.218 -4.595 12.250 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.081 -4.749 14.017 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.404 -2.830 14.660 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.827 -2.783 15.484 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.461 -1.321 14.691 1.00 0.00 H new ATOM 209 N GLN A 17 1.060 -0.194 12.608 1.00 0.00 N ATOM 210 CA GLN A 17 2.457 0.193 12.768 1.00 0.00 C ATOM 211 C GLN A 17 2.594 1.709 12.864 1.00 0.00 C ATOM 212 O GLN A 17 3.386 2.222 13.656 1.00 0.00 O ATOM 213 CB GLN A 17 3.291 -0.333 11.599 1.00 0.00 C ATOM 214 CG GLN A 17 3.117 -1.823 11.350 1.00 0.00 C ATOM 215 CD GLN A 17 4.042 -2.346 10.269 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.415 -1.617 9.349 1.00 0.00 O ATOM 217 NE2 GLN A 17 4.418 -3.615 10.374 1.00 0.00 N ATOM 0 H GLN A 17 0.780 -0.375 11.644 1.00 0.00 H new ATOM 0 HA GLN A 17 2.826 -0.247 13.695 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.019 0.212 10.695 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.344 -0.126 11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.303 -2.366 12.276 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.084 -2.022 11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.085 -4.183 11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.040 -4.022 9.676 1.00 0.00 H new ATOM 226 N ILE A 18 1.818 2.421 12.053 1.00 0.00 N ATOM 227 CA ILE A 18 1.853 3.878 12.047 1.00 0.00 C ATOM 228 C ILE A 18 1.204 4.448 13.304 1.00 0.00 C ATOM 229 O ILE A 18 0.138 3.999 13.723 1.00 0.00 O ATOM 230 CB ILE A 18 1.141 4.454 10.809 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.693 5.841 10.475 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.361 4.518 11.044 1.00 0.00 C ATOM 233 CD1 ILE A 18 1.055 6.467 9.255 1.00 0.00 C ATOM 0 H ILE A 18 1.158 2.012 11.392 1.00 0.00 H new ATOM 0 HA ILE A 18 2.903 4.168 12.019 1.00 0.00 H new ATOM 0 HB ILE A 18 1.329 3.795 9.961 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.543 6.499 11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.769 5.766 10.315 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.850 4.927 10.160 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.742 3.515 11.238 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.568 5.157 11.902 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.495 7.449 9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.227 5.830 8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.017 6.574 9.420 1.00 0.00 H new ATOM 245 N SER A 19 1.855 5.443 13.900 1.00 0.00 N ATOM 246 CA SER A 19 1.342 6.074 15.111 1.00 0.00 C ATOM 247 C SER A 19 -0.125 6.457 14.944 1.00 0.00 C ATOM 248 O SER A 19 -0.628 6.620 13.833 1.00 0.00 O ATOM 249 CB SER A 19 2.169 7.315 15.453 1.00 0.00 C ATOM 250 OG SER A 19 3.313 6.971 16.215 1.00 0.00 O ATOM 0 H SER A 19 2.737 5.829 13.564 1.00 0.00 H new ATOM 0 HA SER A 19 1.421 5.356 15.927 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.477 7.815 14.535 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.556 8.022 16.011 1.00 0.00 H new ATOM 0 HG SER A 19 3.826 7.781 16.419 1.00 0.00 H new ATOM 256 N PRO A 20 -0.829 6.603 16.076 1.00 0.00 N ATOM 257 CA PRO A 20 -2.249 6.969 16.084 1.00 0.00 C ATOM 258 C PRO A 20 -2.479 8.409 15.638 1.00 0.00 C ATOM 259 O PRO A 20 -3.556 8.752 15.151 1.00 0.00 O ATOM 260 CB PRO A 20 -2.653 6.791 17.549 1.00 0.00 C ATOM 261 CG PRO A 20 -1.387 6.965 18.315 1.00 0.00 C ATOM 262 CD PRO A 20 -0.294 6.424 17.436 1.00 0.00 C ATOM 0 HA PRO A 20 -2.831 6.361 15.391 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.400 7.527 17.846 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.089 5.807 17.723 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.215 8.015 18.551 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.427 6.428 19.263 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.640 6.969 17.575 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.087 5.376 17.652 1.00 0.00 H new ATOM 270 N GLU A 21 -1.461 9.246 15.808 1.00 0.00 N ATOM 271 CA GLU A 21 -1.554 10.649 15.424 1.00 0.00 C ATOM 272 C GLU A 21 -1.208 10.833 13.949 1.00 0.00 C ATOM 273 O GLU A 21 -1.678 11.770 13.301 1.00 0.00 O ATOM 274 CB GLU A 21 -0.621 11.501 16.287 1.00 0.00 C ATOM 275 CG GLU A 21 -1.040 11.574 17.746 1.00 0.00 C ATOM 276 CD GLU A 21 -0.296 12.650 18.513 1.00 0.00 C ATOM 277 OE1 GLU A 21 -0.606 13.843 18.313 1.00 0.00 O ATOM 278 OE2 GLU A 21 0.596 12.299 19.313 1.00 0.00 O ATOM 0 H GLU A 21 -0.563 8.977 16.209 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.582 10.975 15.583 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.388 11.094 16.227 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.582 12.511 15.878 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.111 11.767 17.803 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.864 10.608 18.219 1.00 0.00 H new ATOM 285 N LEU A 22 -0.385 9.933 13.424 1.00 0.00 N ATOM 286 CA LEU A 22 0.025 9.995 12.025 1.00 0.00 C ATOM 287 C LEU A 22 -1.126 9.606 11.102 1.00 0.00 C ATOM 288 O LEU A 22 -1.291 10.177 10.024 1.00 0.00 O ATOM 289 CB LEU A 22 1.222 9.073 11.783 1.00 0.00 C ATOM 290 CG LEU A 22 2.591 9.636 12.167 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.134 10.523 11.057 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.502 10.409 13.474 1.00 0.00 C ATOM 0 H LEU A 22 0.012 9.151 13.945 1.00 0.00 H new ATOM 0 HA LEU A 22 0.314 11.022 11.802 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.062 8.149 12.339 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.244 8.809 10.726 1.00 0.00 H new ATOM 0 HG LEU A 22 3.279 8.802 12.307 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.109 10.915 11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.236 9.940 10.142 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.447 11.351 10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.485 10.802 13.732 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.799 11.234 13.361 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.158 9.745 14.267 1.00 0.00 H new ATOM 304 N LEU A 23 -1.920 8.632 11.534 1.00 0.00 N ATOM 305 CA LEU A 23 -3.058 8.168 10.748 1.00 0.00 C ATOM 306 C LEU A 23 -4.055 9.298 10.514 1.00 0.00 C ATOM 307 O LEU A 23 -4.374 9.631 9.373 1.00 0.00 O ATOM 308 CB LEU A 23 -3.749 7.001 11.456 1.00 0.00 C ATOM 309 CG LEU A 23 -5.069 6.532 10.842 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.826 5.873 9.494 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.784 5.574 11.785 1.00 0.00 C ATOM 0 H LEU A 23 -1.797 8.149 12.424 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.687 7.830 9.780 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.061 6.156 11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.934 7.288 12.491 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.706 7.403 10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.776 5.546 9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.357 6.588 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.171 5.012 9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.721 5.250 11.333 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.151 4.706 11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.992 6.079 12.728 1.00 0.00 H new ATOM 323 N ALA A 24 -4.542 9.886 11.601 1.00 0.00 N ATOM 324 CA ALA A 24 -5.499 10.982 11.514 1.00 0.00 C ATOM 325 C ALA A 24 -4.896 12.181 10.791 1.00 0.00 C ATOM 326 O ALA A 24 -5.469 12.691 9.827 1.00 0.00 O ATOM 327 CB ALA A 24 -5.971 11.383 12.904 1.00 0.00 C ATOM 0 H ALA A 24 -4.289 9.622 12.553 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.357 10.637 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.685 12.202 12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.450 10.530 13.386 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.117 11.704 13.500 1.00 0.00 H new ATOM 333 N HIS A 25 -3.737 12.629 11.263 1.00 0.00 N ATOM 334 CA HIS A 25 -3.056 13.770 10.661 1.00 0.00 C ATOM 335 C HIS A 25 -2.857 13.556 9.164 1.00 0.00 C ATOM 336 O HIS A 25 -2.947 14.495 8.375 1.00 0.00 O ATOM 337 CB HIS A 25 -1.705 14.001 11.339 1.00 0.00 C ATOM 338 CG HIS A 25 -0.972 15.200 10.823 1.00 0.00 C ATOM 339 ND1 HIS A 25 -1.607 16.363 10.441 1.00 0.00 N ATOM 340 CD2 HIS A 25 0.350 15.414 10.627 1.00 0.00 C ATOM 341 CE1 HIS A 25 -0.707 17.239 10.031 1.00 0.00 C ATOM 342 NE2 HIS A 25 0.488 16.688 10.135 1.00 0.00 N ATOM 0 H HIS A 25 -3.250 12.220 12.060 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.681 14.651 10.804 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.861 14.115 12.412 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.082 13.117 11.200 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.148 14.713 10.822 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.914 18.236 9.672 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.371 17.136 9.890 1.00 0.00 H new ATOM 351 N GLY A 26 -2.584 12.312 8.780 1.00 0.00 N ATOM 352 CA GLY A 26 -2.375 11.998 7.378 1.00 0.00 C ATOM 353 C GLY A 26 -3.661 12.040 6.577 1.00 0.00 C ATOM 354 O GLY A 26 -3.778 12.805 5.619 1.00 0.00 O ATOM 0 H GLY A 26 -2.504 11.517 9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.662 12.705 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.930 11.007 7.293 1.00 0.00 H new ATOM 358 N ARG A 27 -4.627 11.216 6.968 1.00 0.00 N ATOM 359 CA ARG A 27 -5.910 11.160 6.277 1.00 0.00 C ATOM 360 C ARG A 27 -6.398 12.562 5.924 1.00 0.00 C ATOM 361 O ARG A 27 -6.791 12.825 4.787 1.00 0.00 O ATOM 362 CB ARG A 27 -6.950 10.450 7.144 1.00 0.00 C ATOM 363 CG ARG A 27 -6.857 8.934 7.088 1.00 0.00 C ATOM 364 CD ARG A 27 -7.675 8.284 8.194 1.00 0.00 C ATOM 365 NE ARG A 27 -7.963 6.881 7.909 1.00 0.00 N ATOM 366 CZ ARG A 27 -8.859 6.164 8.578 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.551 6.716 9.566 1.00 0.00 N ATOM 368 NH2 ARG A 27 -9.066 4.893 8.259 1.00 0.00 N ATOM 0 H ARG A 27 -4.546 10.578 7.760 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.773 10.598 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.832 10.775 8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.946 10.756 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.210 8.582 6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.814 8.629 7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.134 8.359 9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.611 8.828 8.320 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.448 6.427 7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.396 7.693 9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.238 6.163 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.537 4.465 7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.754 4.344 8.774 1.00 0.00 H new ATOM 382 N GLN A 28 -6.371 13.458 6.906 1.00 0.00 N ATOM 383 CA GLN A 28 -6.812 14.832 6.698 1.00 0.00 C ATOM 384 C GLN A 28 -5.985 15.511 5.611 1.00 0.00 C ATOM 385 O GLN A 28 -6.529 16.152 4.712 1.00 0.00 O ATOM 386 CB GLN A 28 -6.711 15.624 8.003 1.00 0.00 C ATOM 387 CG GLN A 28 -7.657 16.813 8.067 1.00 0.00 C ATOM 388 CD GLN A 28 -9.064 16.419 8.468 1.00 0.00 C ATOM 389 OE1 GLN A 28 -9.929 16.220 7.480 1.00 0.00 O flip ATOM 390 NE2 GLN A 28 -9.372 16.294 9.654 1.00 0.00 N flip ATOM 0 H GLN A 28 -6.049 13.257 7.853 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.853 14.809 6.375 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.921 14.958 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.687 15.978 8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.271 17.542 8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.685 17.303 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.676 16.457 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.323 16.028 9.909 1.00 0.00 H new ATOM 399 N LYS A 29 -4.668 15.367 5.701 1.00 0.00 N ATOM 400 CA LYS A 29 -3.764 15.965 4.725 1.00 0.00 C ATOM 401 C LYS A 29 -4.119 15.520 3.310 1.00 0.00 C ATOM 402 O LYS A 29 -3.971 16.282 2.354 1.00 0.00 O ATOM 403 CB LYS A 29 -2.315 15.587 5.042 1.00 0.00 C ATOM 404 CG LYS A 29 -1.637 16.538 6.012 1.00 0.00 C ATOM 405 CD LYS A 29 -0.150 16.246 6.131 1.00 0.00 C ATOM 406 CE LYS A 29 0.133 15.236 7.232 1.00 0.00 C ATOM 407 NZ LYS A 29 1.588 15.136 7.532 1.00 0.00 N ATOM 0 H LYS A 29 -4.202 14.841 6.440 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.871 17.048 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.294 14.580 5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.744 15.560 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.781 17.565 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.105 16.454 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.224 15.865 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.388 17.171 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.405 15.523 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.244 14.258 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.876 14.137 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.128 15.655 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.778 15.547 8.468 1.00 0.00 H new ATOM 421 N ILE A 30 -4.589 14.283 3.184 1.00 0.00 N ATOM 422 CA ILE A 30 -4.967 13.739 1.886 1.00 0.00 C ATOM 423 C ILE A 30 -6.352 14.222 1.470 1.00 0.00 C ATOM 424 O ILE A 30 -6.650 14.339 0.280 1.00 0.00 O ATOM 425 CB ILE A 30 -4.955 12.199 1.897 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.517 11.679 1.945 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.680 11.655 0.674 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.382 10.339 2.634 1.00 0.00 C ATOM 0 H ILE A 30 -4.717 13.639 3.965 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.229 14.095 1.167 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.477 11.852 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.135 11.595 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.892 12.408 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.663 10.565 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.713 12.002 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.183 12.007 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.336 10.032 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.733 10.422 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.980 9.596 2.105 1.00 0.00 H new ATOM 440 N LEU A 31 -7.196 14.505 2.457 1.00 0.00 N ATOM 441 CA LEU A 31 -8.550 14.979 2.193 1.00 0.00 C ATOM 442 C LEU A 31 -8.530 16.385 1.602 1.00 0.00 C ATOM 443 O LEU A 31 -9.245 16.676 0.643 1.00 0.00 O ATOM 444 CB LEU A 31 -9.375 14.966 3.481 1.00 0.00 C ATOM 445 CG LEU A 31 -10.847 15.353 3.339 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.640 14.217 2.712 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.433 15.731 4.692 1.00 0.00 C ATOM 0 H LEU A 31 -6.966 14.414 3.447 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.009 14.307 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.323 13.966 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.909 15.645 4.194 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.912 16.220 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.685 14.511 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.237 13.994 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.567 13.331 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.481 16.004 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.355 14.883 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.883 16.578 5.103 1.00 0.00 H new ATOM 459 N ASP A 32 -7.705 17.252 2.180 1.00 0.00 N ATOM 460 CA ASP A 32 -7.589 18.627 1.708 1.00 0.00 C ATOM 461 C ASP A 32 -7.183 18.665 0.239 1.00 0.00 C ATOM 462 O ASP A 32 -7.492 19.618 -0.478 1.00 0.00 O ATOM 463 CB ASP A 32 -6.570 19.393 2.552 1.00 0.00 C ATOM 464 CG ASP A 32 -6.886 20.873 2.640 1.00 0.00 C ATOM 465 OD1 ASP A 32 -8.082 21.218 2.746 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.939 21.686 2.601 1.00 0.00 O ATOM 0 H ASP A 32 -7.107 17.027 2.975 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.564 19.103 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.543 18.970 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.576 19.262 2.124 1.00 0.00 H new ATOM 471 N LEU A 33 -6.487 17.623 -0.205 1.00 0.00 N ATOM 472 CA LEU A 33 -6.037 17.538 -1.590 1.00 0.00 C ATOM 473 C LEU A 33 -7.163 17.058 -2.500 1.00 0.00 C ATOM 474 O LEU A 33 -7.308 17.531 -3.628 1.00 0.00 O ATOM 475 CB LEU A 33 -4.839 16.592 -1.699 1.00 0.00 C ATOM 476 CG LEU A 33 -4.328 16.318 -3.114 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.774 17.590 -3.738 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.269 15.225 -3.096 1.00 0.00 C ATOM 0 H LEU A 33 -6.222 16.826 0.374 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.736 18.535 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.019 17.006 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.110 15.641 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.165 15.975 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.415 17.375 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.560 18.344 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.949 17.964 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.917 15.043 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.432 15.539 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.699 14.309 -2.691 1.00 0.00 H new ATOM 490 N LEU A 34 -7.959 16.118 -2.002 1.00 0.00 N ATOM 491 CA LEU A 34 -9.074 15.575 -2.769 1.00 0.00 C ATOM 492 C LEU A 34 -10.175 16.617 -2.940 1.00 0.00 C ATOM 493 O LEU A 34 -11.041 16.483 -3.804 1.00 0.00 O ATOM 494 CB LEU A 34 -9.637 14.331 -2.079 1.00 0.00 C ATOM 495 CG LEU A 34 -8.695 13.130 -1.990 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.155 12.171 -0.903 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.611 12.418 -3.332 1.00 0.00 C ATOM 0 H LEU A 34 -7.853 15.716 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.703 15.299 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.940 14.606 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.538 14.022 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.700 13.491 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.473 11.322 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.163 12.686 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.160 11.816 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.936 11.566 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.602 12.069 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.234 13.108 -4.087 1.00 0.00 H new ATOM 509 N ASN A 35 -10.134 17.656 -2.113 1.00 0.00 N ATOM 510 CA ASN A 35 -11.127 18.722 -2.174 1.00 0.00 C ATOM 511 C ASN A 35 -10.557 19.958 -2.863 1.00 0.00 C ATOM 512 O ASN A 35 -11.123 20.453 -3.838 1.00 0.00 O ATOM 513 CB ASN A 35 -11.604 19.084 -0.766 1.00 0.00 C ATOM 514 CG ASN A 35 -12.677 18.141 -0.258 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.660 17.872 -0.948 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.492 17.633 0.955 1.00 0.00 N ATOM 0 H ASN A 35 -9.423 17.783 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.975 18.362 -2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.755 19.066 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.991 20.103 -0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.180 16.992 1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.662 17.884 1.492 1.00 0.00 H new ATOM 523 N GLU A 36 -9.434 20.450 -2.351 1.00 0.00 N ATOM 524 CA GLU A 36 -8.788 21.628 -2.918 1.00 0.00 C ATOM 525 C GLU A 36 -7.956 21.256 -4.142 1.00 0.00 C ATOM 526 O GLU A 36 -7.916 21.994 -5.126 1.00 0.00 O ATOM 527 CB GLU A 36 -7.899 22.303 -1.871 1.00 0.00 C ATOM 528 CG GLU A 36 -8.591 22.523 -0.536 1.00 0.00 C ATOM 529 CD GLU A 36 -7.847 23.500 0.353 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.683 23.213 0.704 1.00 0.00 O ATOM 531 OE2 GLU A 36 -8.427 24.550 0.699 1.00 0.00 O ATOM 0 H GLU A 36 -8.953 20.052 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.567 22.325 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.010 21.693 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.561 23.264 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.601 22.894 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.687 21.568 -0.019 1.00 0.00 H new ATOM 538 N GLY A 37 -7.294 20.105 -4.073 1.00 0.00 N ATOM 539 CA GLY A 37 -6.472 19.655 -5.182 1.00 0.00 C ATOM 540 C GLY A 37 -7.297 19.228 -6.379 1.00 0.00 C ATOM 541 O GLY A 37 -8.141 18.338 -6.275 1.00 0.00 O ATOM 0 H GLY A 37 -7.312 19.476 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.796 20.457 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.852 18.820 -4.855 1.00 0.00 H new ATOM 545 N SER A 38 -7.054 19.865 -7.521 1.00 0.00 N ATOM 546 CA SER A 38 -7.785 19.550 -8.742 1.00 0.00 C ATOM 547 C SER A 38 -7.252 18.270 -9.379 1.00 0.00 C ATOM 548 O SER A 38 -6.268 17.696 -8.914 1.00 0.00 O ATOM 549 CB SER A 38 -7.684 20.709 -9.736 1.00 0.00 C ATOM 550 OG SER A 38 -8.228 21.898 -9.190 1.00 0.00 O ATOM 0 H SER A 38 -6.357 20.602 -7.625 1.00 0.00 H new ATOM 0 HA SER A 38 -8.832 19.396 -8.480 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.640 20.873 -10.004 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.212 20.452 -10.654 1.00 0.00 H new ATOM 0 HG SER A 38 -8.150 22.624 -9.844 1.00 0.00 H new ATOM 556 N ALA A 39 -7.909 17.830 -10.447 1.00 0.00 N ATOM 557 CA ALA A 39 -7.501 16.621 -11.151 1.00 0.00 C ATOM 558 C ALA A 39 -5.989 16.580 -11.342 1.00 0.00 C ATOM 559 O ALA A 39 -5.313 15.688 -10.830 1.00 0.00 O ATOM 560 CB ALA A 39 -8.208 16.528 -12.495 1.00 0.00 C ATOM 0 H ALA A 39 -8.727 18.293 -10.844 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.787 15.763 -10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.893 15.620 -13.010 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.286 16.501 -12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.951 17.396 -13.102 1.00 0.00 H new ATOM 566 N ARG A 40 -5.465 17.551 -12.083 1.00 0.00 N ATOM 567 CA ARG A 40 -4.032 17.625 -12.343 1.00 0.00 C ATOM 568 C ARG A 40 -3.235 17.405 -11.061 1.00 0.00 C ATOM 569 O ARG A 40 -2.391 16.511 -10.989 1.00 0.00 O ATOM 570 CB ARG A 40 -3.673 18.981 -12.954 1.00 0.00 C ATOM 571 CG ARG A 40 -2.267 19.036 -13.531 1.00 0.00 C ATOM 572 CD ARG A 40 -2.108 18.078 -14.701 1.00 0.00 C ATOM 573 NE ARG A 40 -1.033 18.487 -15.601 1.00 0.00 N ATOM 574 CZ ARG A 40 -1.109 19.543 -16.403 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.202 20.293 -16.417 1.00 0.00 N ATOM 576 NH2 ARG A 40 -0.088 19.852 -17.193 1.00 0.00 N ATOM 0 H ARG A 40 -6.011 18.297 -12.514 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.775 16.836 -13.050 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.389 19.216 -13.741 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.774 19.752 -12.190 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.046 20.052 -13.858 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.544 18.787 -12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.903 17.076 -14.324 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.045 18.025 -15.256 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.178 17.932 -15.614 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.988 20.060 -15.811 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.257 21.103 -17.034 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.755 19.278 -17.184 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.147 20.663 -17.809 1.00 0.00 H new ATOM 590 N ASP A 41 -3.507 18.226 -10.053 1.00 0.00 N ATOM 591 CA ASP A 41 -2.815 18.121 -8.774 1.00 0.00 C ATOM 592 C ASP A 41 -2.985 16.727 -8.177 1.00 0.00 C ATOM 593 O ASP A 41 -2.077 16.201 -7.532 1.00 0.00 O ATOM 594 CB ASP A 41 -3.341 19.174 -7.798 1.00 0.00 C ATOM 595 CG ASP A 41 -2.656 20.516 -7.970 1.00 0.00 C ATOM 596 OD1 ASP A 41 -1.487 20.533 -8.410 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.287 21.549 -7.663 1.00 0.00 O ATOM 0 H ASP A 41 -4.202 18.972 -10.097 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.753 18.296 -8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.414 19.296 -7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.195 18.823 -6.776 1.00 0.00 H new ATOM 602 N LEU A 42 -4.153 16.134 -8.395 1.00 0.00 N ATOM 603 CA LEU A 42 -4.444 14.801 -7.878 1.00 0.00 C ATOM 604 C LEU A 42 -3.590 13.748 -8.578 1.00 0.00 C ATOM 605 O LEU A 42 -3.014 12.873 -7.931 1.00 0.00 O ATOM 606 CB LEU A 42 -5.927 14.474 -8.060 1.00 0.00 C ATOM 607 CG LEU A 42 -6.899 15.248 -7.169 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.312 15.168 -7.725 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.853 14.718 -5.743 1.00 0.00 C ATOM 0 H LEU A 42 -4.915 16.555 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.204 14.790 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.194 14.658 -9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.069 13.409 -7.878 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.595 16.295 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.990 15.725 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.334 15.596 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.627 14.125 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.551 15.281 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.131 13.664 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.844 14.829 -5.346 1.00 0.00 H new ATOM 621 N ARG A 43 -3.511 13.841 -9.901 1.00 0.00 N ATOM 622 CA ARG A 43 -2.726 12.897 -10.688 1.00 0.00 C ATOM 623 C ARG A 43 -1.305 12.785 -10.144 1.00 0.00 C ATOM 624 O ARG A 43 -0.605 11.808 -10.406 1.00 0.00 O ATOM 625 CB ARG A 43 -2.690 13.330 -12.155 1.00 0.00 C ATOM 626 CG ARG A 43 -4.065 13.429 -12.795 1.00 0.00 C ATOM 627 CD ARG A 43 -3.966 13.732 -14.282 1.00 0.00 C ATOM 628 NE ARG A 43 -2.798 14.550 -14.598 1.00 0.00 N ATOM 629 CZ ARG A 43 -1.602 14.047 -14.881 1.00 0.00 C ATOM 630 NH1 ARG A 43 -1.417 12.734 -14.888 1.00 0.00 N ATOM 631 NH2 ARG A 43 -0.589 14.857 -15.158 1.00 0.00 N ATOM 0 H ARG A 43 -3.981 14.560 -10.451 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.202 11.919 -10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.195 14.298 -12.227 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.086 12.620 -12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.604 12.493 -12.648 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.642 14.210 -12.301 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.915 12.797 -14.840 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.869 14.249 -14.607 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.907 15.564 -14.602 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.194 12.108 -14.676 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.498 12.350 -15.106 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.728 15.867 -15.154 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.329 14.469 -15.375 1.00 0.00 H new ATOM 645 N SER A 44 -0.886 13.793 -9.385 1.00 0.00 N ATOM 646 CA SER A 44 0.452 13.810 -8.807 1.00 0.00 C ATOM 647 C SER A 44 0.618 12.689 -7.786 1.00 0.00 C ATOM 648 O SER A 44 1.660 12.036 -7.726 1.00 0.00 O ATOM 649 CB SER A 44 0.729 15.162 -8.147 1.00 0.00 C ATOM 650 OG SER A 44 0.749 16.204 -9.107 1.00 0.00 O ATOM 0 H SER A 44 -1.454 14.608 -9.156 1.00 0.00 H new ATOM 0 HA SER A 44 1.170 13.653 -9.612 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.036 15.368 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.685 15.126 -7.625 1.00 0.00 H new ATOM 0 HG SER A 44 0.926 17.058 -8.660 1.00 0.00 H new ATOM 656 N LEU A 45 -0.418 12.471 -6.983 1.00 0.00 N ATOM 657 CA LEU A 45 -0.390 11.429 -5.963 1.00 0.00 C ATOM 658 C LEU A 45 0.236 10.150 -6.508 1.00 0.00 C ATOM 659 O LEU A 45 0.383 9.987 -7.719 1.00 0.00 O ATOM 660 CB LEU A 45 -1.806 11.143 -5.459 1.00 0.00 C ATOM 661 CG LEU A 45 -2.363 12.125 -4.428 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.841 11.863 -4.185 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.582 12.032 -3.125 1.00 0.00 C ATOM 0 H LEU A 45 -1.288 13.002 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 45 0.220 11.784 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.479 11.127 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.820 10.144 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.254 13.135 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.220 12.572 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.390 11.982 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.974 10.847 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.993 12.738 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.658 11.020 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.535 12.271 -3.311 1.00 0.00 H new ATOM 675 N GLN A 46 0.602 9.245 -5.606 1.00 0.00 N ATOM 676 CA GLN A 46 1.211 7.979 -5.997 1.00 0.00 C ATOM 677 C GLN A 46 0.169 7.032 -6.583 1.00 0.00 C ATOM 678 O GLN A 46 0.121 6.820 -7.795 1.00 0.00 O ATOM 679 CB GLN A 46 1.894 7.325 -4.796 1.00 0.00 C ATOM 680 CG GLN A 46 3.087 8.109 -4.272 1.00 0.00 C ATOM 681 CD GLN A 46 4.037 7.252 -3.458 1.00 0.00 C ATOM 682 OE1 GLN A 46 4.268 6.086 -3.778 1.00 0.00 O ATOM 683 NE2 GLN A 46 4.593 7.828 -2.399 1.00 0.00 N ATOM 0 H GLN A 46 0.487 9.365 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 46 1.959 8.186 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.166 7.209 -3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.222 6.324 -5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.627 8.546 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.732 8.936 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.372 8.797 -2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.241 7.301 -1.813 1.00 0.00 H new ATOM 692 N ARG A 47 -0.663 6.466 -5.715 1.00 0.00 N ATOM 693 CA ARG A 47 -1.703 5.539 -6.147 1.00 0.00 C ATOM 694 C ARG A 47 -2.889 6.293 -6.741 1.00 0.00 C ATOM 695 O ARG A 47 -4.025 6.135 -6.292 1.00 0.00 O ATOM 696 CB ARG A 47 -2.168 4.678 -4.972 1.00 0.00 C ATOM 697 CG ARG A 47 -1.028 4.053 -4.185 1.00 0.00 C ATOM 698 CD ARG A 47 -0.528 2.778 -4.846 1.00 0.00 C ATOM 699 NE ARG A 47 0.742 2.330 -4.281 1.00 0.00 N ATOM 700 CZ ARG A 47 1.236 1.110 -4.460 1.00 0.00 C ATOM 701 NH1 ARG A 47 0.571 0.221 -5.185 1.00 0.00 N ATOM 702 NH2 ARG A 47 2.399 0.777 -3.913 1.00 0.00 N ATOM 0 H ARG A 47 -0.638 6.633 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.283 4.893 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.769 5.290 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.816 3.886 -5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.208 4.766 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.363 3.832 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.274 1.992 -4.729 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.409 2.947 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 47 1.279 2.990 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.323 0.473 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.953 -0.715 -5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.914 1.458 -3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.778 -0.160 -4.051 1.00 0.00 H new ATOM 716 N ILE A 48 -2.618 7.112 -7.751 1.00 0.00 N ATOM 717 CA ILE A 48 -3.663 7.889 -8.406 1.00 0.00 C ATOM 718 C ILE A 48 -3.325 8.140 -9.871 1.00 0.00 C ATOM 719 O ILE A 48 -2.155 8.227 -10.244 1.00 0.00 O ATOM 720 CB ILE A 48 -3.883 9.242 -7.703 1.00 0.00 C ATOM 721 CG1 ILE A 48 -4.024 9.039 -6.193 1.00 0.00 C ATOM 722 CG2 ILE A 48 -5.113 9.938 -8.266 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.306 8.343 -5.793 1.00 0.00 C ATOM 0 H ILE A 48 -1.683 7.255 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.579 7.302 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.015 9.876 -7.887 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.176 8.456 -5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.977 10.009 -5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.255 10.892 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.977 10.111 -9.334 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.990 9.310 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.337 8.233 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.160 8.935 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.346 7.358 -6.259 1.00 0.00 H new ATOM 735 N GLY A 49 -4.358 8.258 -10.700 1.00 0.00 N ATOM 736 CA GLY A 49 -4.150 8.500 -12.116 1.00 0.00 C ATOM 737 C GLY A 49 -4.979 9.658 -12.634 1.00 0.00 C ATOM 738 O GLY A 49 -5.516 10.457 -11.867 1.00 0.00 O ATOM 0 H GLY A 49 -5.335 8.190 -10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.094 8.704 -12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.400 7.599 -12.676 1.00 0.00 H new ATOM 742 N PRO A 50 -5.089 9.762 -13.967 1.00 0.00 N ATOM 743 CA PRO A 50 -5.856 10.829 -14.616 1.00 0.00 C ATOM 744 C PRO A 50 -7.358 10.675 -14.405 1.00 0.00 C ATOM 745 O PRO A 50 -8.063 11.650 -14.143 1.00 0.00 O ATOM 746 CB PRO A 50 -5.505 10.667 -16.097 1.00 0.00 C ATOM 747 CG PRO A 50 -5.123 9.234 -16.242 1.00 0.00 C ATOM 748 CD PRO A 50 -4.475 8.845 -14.942 1.00 0.00 C ATOM 0 HA PRO A 50 -5.612 11.811 -14.210 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.353 10.917 -16.734 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.686 11.326 -16.384 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.998 8.615 -16.443 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.436 9.096 -17.077 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.671 7.802 -14.692 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.392 8.966 -14.981 1.00 0.00 H new ATOM 756 N LYS A 51 -7.844 9.443 -14.521 1.00 0.00 N ATOM 757 CA LYS A 51 -9.263 9.160 -14.341 1.00 0.00 C ATOM 758 C LYS A 51 -9.665 9.303 -12.877 1.00 0.00 C ATOM 759 O LYS A 51 -10.390 10.227 -12.509 1.00 0.00 O ATOM 760 CB LYS A 51 -9.588 7.748 -14.835 1.00 0.00 C ATOM 761 CG LYS A 51 -11.020 7.587 -15.317 1.00 0.00 C ATOM 762 CD LYS A 51 -11.471 6.138 -15.250 1.00 0.00 C ATOM 763 CE LYS A 51 -12.961 6.005 -15.528 1.00 0.00 C ATOM 764 NZ LYS A 51 -13.302 6.401 -16.923 1.00 0.00 N ATOM 0 H LYS A 51 -7.275 8.625 -14.739 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.830 9.883 -14.927 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.909 7.491 -15.648 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.403 7.038 -14.029 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.681 8.203 -14.708 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.103 7.948 -16.342 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.910 5.547 -15.975 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.246 5.731 -14.264 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.272 4.974 -15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.518 6.627 -14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.317 6.248 -17.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.075 7.406 -17.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.752 5.825 -17.592 1.00 0.00 H new ATOM 778 N LYS A 52 -9.189 8.383 -12.045 1.00 0.00 N ATOM 779 CA LYS A 52 -9.496 8.407 -10.619 1.00 0.00 C ATOM 780 C LYS A 52 -9.594 9.841 -10.109 1.00 0.00 C ATOM 781 O LYS A 52 -10.504 10.180 -9.353 1.00 0.00 O ATOM 782 CB LYS A 52 -8.426 7.647 -9.833 1.00 0.00 C ATOM 783 CG LYS A 52 -8.966 6.930 -8.608 1.00 0.00 C ATOM 784 CD LYS A 52 -7.846 6.333 -7.772 1.00 0.00 C ATOM 785 CE LYS A 52 -7.491 4.929 -8.238 1.00 0.00 C ATOM 786 NZ LYS A 52 -8.599 3.965 -7.988 1.00 0.00 N ATOM 0 H LYS A 52 -8.589 7.611 -12.334 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.460 7.920 -10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.953 6.918 -10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.650 8.347 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.542 7.629 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.649 6.140 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.965 6.972 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.147 6.305 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.259 4.948 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.592 4.591 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.226 2.994 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.019 4.153 -7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.326 4.073 -8.724 1.00 0.00 H new ATOM 800 N ALA A 53 -8.652 10.680 -10.528 1.00 0.00 N ATOM 801 CA ALA A 53 -8.635 12.078 -10.115 1.00 0.00 C ATOM 802 C ALA A 53 -9.914 12.791 -10.540 1.00 0.00 C ATOM 803 O ALA A 53 -10.512 13.529 -9.758 1.00 0.00 O ATOM 804 CB ALA A 53 -7.418 12.784 -10.693 1.00 0.00 C ATOM 0 H ALA A 53 -7.891 10.416 -11.153 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.577 12.109 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.418 13.827 -10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.511 12.297 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.452 12.735 -11.781 1.00 0.00 H new ATOM 810 N GLN A 54 -10.327 12.565 -11.783 1.00 0.00 N ATOM 811 CA GLN A 54 -11.535 13.188 -12.312 1.00 0.00 C ATOM 812 C GLN A 54 -12.782 12.590 -11.669 1.00 0.00 C ATOM 813 O GLN A 54 -13.826 13.239 -11.593 1.00 0.00 O ATOM 814 CB GLN A 54 -11.598 13.020 -13.831 1.00 0.00 C ATOM 815 CG GLN A 54 -10.498 13.761 -14.572 1.00 0.00 C ATOM 816 CD GLN A 54 -10.103 13.078 -15.867 1.00 0.00 C ATOM 817 OE1 GLN A 54 -10.856 12.269 -16.410 1.00 0.00 O ATOM 818 NE2 GLN A 54 -8.918 13.401 -16.369 1.00 0.00 N ATOM 0 H GLN A 54 -9.843 11.955 -12.442 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.500 14.251 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.537 11.959 -14.073 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.566 13.373 -14.187 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.831 14.776 -14.788 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.623 13.843 -13.928 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.326 14.077 -15.885 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.599 12.974 -17.238 1.00 0.00 H new ATOM 827 N LEU A 55 -12.666 11.350 -11.207 1.00 0.00 N ATOM 828 CA LEU A 55 -13.785 10.663 -10.571 1.00 0.00 C ATOM 829 C LEU A 55 -14.141 11.320 -9.241 1.00 0.00 C ATOM 830 O LEU A 55 -15.303 11.332 -8.835 1.00 0.00 O ATOM 831 CB LEU A 55 -13.444 9.188 -10.350 1.00 0.00 C ATOM 832 CG LEU A 55 -13.204 8.359 -11.611 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.832 6.930 -11.248 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.435 8.380 -12.506 1.00 0.00 C ATOM 0 H LEU A 55 -11.809 10.800 -11.261 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.648 10.734 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.551 9.132 -9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.256 8.729 -9.786 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.372 8.801 -12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.665 6.355 -12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.922 6.932 -10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.642 6.477 -10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.246 7.784 -13.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.285 7.963 -11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.657 9.407 -12.795 1.00 0.00 H new ATOM 846 N ILE A 56 -13.133 11.865 -8.568 1.00 0.00 N ATOM 847 CA ILE A 56 -13.341 12.526 -7.285 1.00 0.00 C ATOM 848 C ILE A 56 -13.750 13.983 -7.478 1.00 0.00 C ATOM 849 O ILE A 56 -14.776 14.424 -6.960 1.00 0.00 O ATOM 850 CB ILE A 56 -12.074 12.472 -6.412 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.479 11.063 -6.427 1.00 0.00 C ATOM 852 CG2 ILE A 56 -12.393 12.903 -4.988 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.982 11.037 -6.207 1.00 0.00 C ATOM 0 H ILE A 56 -12.165 11.862 -8.889 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.144 11.989 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.337 13.162 -6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.962 10.465 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.706 10.592 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.487 12.859 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.777 13.923 -4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.144 12.235 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.629 10.006 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.489 11.607 -6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.749 11.479 -5.238 1.00 0.00 H new ATOM 865 N VAL A 57 -12.941 14.725 -8.227 1.00 0.00 N ATOM 866 CA VAL A 57 -13.220 16.132 -8.491 1.00 0.00 C ATOM 867 C VAL A 57 -14.608 16.313 -9.096 1.00 0.00 C ATOM 868 O VAL A 57 -15.388 17.151 -8.646 1.00 0.00 O ATOM 869 CB VAL A 57 -12.174 16.742 -9.442 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.498 18.201 -9.728 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.777 16.603 -8.856 1.00 0.00 C ATOM 0 H VAL A 57 -12.087 14.376 -8.662 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.175 16.649 -7.533 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.204 16.197 -10.385 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.748 18.615 -10.402 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.481 18.271 -10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.497 18.764 -8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.050 17.039 -9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.731 17.122 -7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.548 15.548 -8.708 1.00 0.00 H new ATOM 881 N GLY A 58 -14.909 15.520 -10.120 1.00 0.00 N ATOM 882 CA GLY A 58 -16.204 15.608 -10.770 1.00 0.00 C ATOM 883 C GLY A 58 -17.353 15.416 -9.802 1.00 0.00 C ATOM 884 O GLY A 58 -18.398 16.054 -9.933 1.00 0.00 O ATOM 0 H GLY A 58 -14.280 14.819 -10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.299 16.580 -11.253 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.265 14.854 -11.555 1.00 0.00 H new ATOM 888 N TRP A 59 -17.163 14.533 -8.828 1.00 0.00 N ATOM 889 CA TRP A 59 -18.194 14.257 -7.834 1.00 0.00 C ATOM 890 C TRP A 59 -18.376 15.443 -6.894 1.00 0.00 C ATOM 891 O TRP A 59 -19.454 16.033 -6.826 1.00 0.00 O ATOM 892 CB TRP A 59 -17.836 13.005 -7.032 1.00 0.00 C ATOM 893 CG TRP A 59 -18.865 12.645 -6.003 1.00 0.00 C ATOM 894 CD1 TRP A 59 -19.256 13.402 -4.936 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.630 11.436 -5.942 1.00 0.00 C ATOM 896 NE1 TRP A 59 -20.219 12.737 -4.215 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.467 11.530 -4.812 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.692 10.286 -6.733 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -21.351 10.515 -4.456 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.570 9.280 -6.377 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.391 9.400 -5.248 1.00 0.00 C ATOM 0 H TRP A 59 -16.305 13.996 -8.705 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.134 14.087 -8.360 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.709 12.167 -7.717 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.877 13.161 -6.538 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.866 14.380 -4.694 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.675 13.086 -3.372 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.065 10.185 -7.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.983 10.605 -3.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.624 8.385 -6.980 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.068 8.597 -4.998 1.00 0.00 H new ATOM 912 N ARG A 60 -17.315 15.788 -6.172 1.00 0.00 N ATOM 913 CA ARG A 60 -17.359 16.905 -5.235 1.00 0.00 C ATOM 914 C ARG A 60 -17.885 18.165 -5.916 1.00 0.00 C ATOM 915 O ARG A 60 -18.708 18.887 -5.354 1.00 0.00 O ATOM 916 CB ARG A 60 -15.967 17.168 -4.657 1.00 0.00 C ATOM 917 CG ARG A 60 -14.933 17.541 -5.706 1.00 0.00 C ATOM 918 CD ARG A 60 -13.570 17.793 -5.079 1.00 0.00 C ATOM 919 NE ARG A 60 -12.752 18.691 -5.891 1.00 0.00 N ATOM 920 CZ ARG A 60 -12.838 20.016 -5.834 1.00 0.00 C ATOM 921 NH1 ARG A 60 -13.701 20.593 -5.009 1.00 0.00 N ATOM 922 NH2 ARG A 60 -12.060 20.765 -6.604 1.00 0.00 N ATOM 0 H ARG A 60 -16.415 15.311 -6.218 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.038 16.641 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.033 17.971 -3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.629 16.278 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.854 16.741 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.260 18.433 -6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.702 18.221 -4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.049 16.844 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.078 18.279 -6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.301 20.020 -4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.765 21.610 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.396 20.324 -7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.126 21.782 -6.560 1.00 0.00 H new ATOM 936 N GLU A 61 -17.405 18.422 -7.128 1.00 0.00 N ATOM 937 CA GLU A 61 -17.827 19.595 -7.884 1.00 0.00 C ATOM 938 C GLU A 61 -19.320 19.852 -7.701 1.00 0.00 C ATOM 939 O GLU A 61 -19.752 20.997 -7.560 1.00 0.00 O ATOM 940 CB GLU A 61 -17.507 19.415 -9.369 1.00 0.00 C ATOM 941 CG GLU A 61 -16.086 19.808 -9.738 1.00 0.00 C ATOM 942 CD GLU A 61 -15.956 21.282 -10.071 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.470 21.698 -11.131 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.342 22.019 -9.272 1.00 0.00 O ATOM 0 H GLU A 61 -16.724 17.834 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.278 20.457 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.669 18.373 -9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.204 20.012 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.420 19.566 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.760 19.216 -10.593 1.00 0.00 H new ATOM 951 N LEU A 62 -20.103 18.780 -7.705 1.00 0.00 N ATOM 952 CA LEU A 62 -21.549 18.887 -7.541 1.00 0.00 C ATOM 953 C LEU A 62 -21.954 18.614 -6.096 1.00 0.00 C ATOM 954 O LEU A 62 -22.525 19.476 -5.426 1.00 0.00 O ATOM 955 CB LEU A 62 -22.263 17.910 -8.476 1.00 0.00 C ATOM 956 CG LEU A 62 -22.393 18.351 -9.935 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.480 17.141 -10.852 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.609 19.248 -10.115 1.00 0.00 C ATOM 0 H LEU A 62 -19.761 17.826 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.844 19.905 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.731 16.959 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.263 17.726 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.504 18.921 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.572 17.474 -11.886 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.579 16.537 -10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.351 16.543 -10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.686 19.552 -11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.509 18.703 -9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.505 20.132 -9.486 1.00 0.00 H new ATOM 970 N HIS A 63 -21.654 17.410 -5.620 1.00 0.00 N ATOM 971 CA HIS A 63 -21.984 17.024 -4.253 1.00 0.00 C ATOM 972 C HIS A 63 -21.403 18.018 -3.252 1.00 0.00 C ATOM 973 O HIS A 63 -22.116 18.542 -2.397 1.00 0.00 O ATOM 974 CB HIS A 63 -21.460 15.618 -3.956 1.00 0.00 C ATOM 975 CG HIS A 63 -22.357 14.527 -4.453 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.236 13.846 -3.637 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.510 14.001 -5.690 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.889 12.947 -4.351 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.467 13.020 -5.601 1.00 0.00 N ATOM 0 H HIS A 63 -21.183 16.685 -6.161 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.069 17.027 -4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.476 15.503 -4.410 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.330 15.508 -2.879 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.978 14.298 -6.582 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.640 12.268 -3.977 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.798 12.442 -6.374 1.00 0.00 H new ATOM 988 N GLY A 64 -20.103 18.273 -3.364 1.00 0.00 N ATOM 989 CA GLY A 64 -19.449 19.203 -2.463 1.00 0.00 C ATOM 990 C GLY A 64 -18.187 18.626 -1.850 1.00 0.00 C ATOM 991 O GLY A 64 -17.610 17.664 -2.357 1.00 0.00 O ATOM 0 H GLY A 64 -19.491 17.852 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.202 20.116 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.141 19.482 -1.668 1.00 0.00 H new ATOM 995 N PRO A 65 -17.741 19.222 -0.735 1.00 0.00 N ATOM 996 CA PRO A 65 -16.535 18.779 -0.029 1.00 0.00 C ATOM 997 C PRO A 65 -16.724 17.427 0.651 1.00 0.00 C ATOM 998 O PRO A 65 -17.827 17.084 1.076 1.00 0.00 O ATOM 999 CB PRO A 65 -16.311 19.876 1.014 1.00 0.00 C ATOM 1000 CG PRO A 65 -17.661 20.462 1.243 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.380 20.373 -0.075 1.00 0.00 C ATOM 0 HA PRO A 65 -15.694 18.640 -0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.895 19.468 1.935 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.609 20.628 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.198 19.915 2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.586 21.497 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.450 20.215 0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.264 21.286 -0.659 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.641 16.663 0.750 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.689 15.348 1.379 1.00 0.00 C ATOM 1011 C PHE A 66 -15.478 15.458 2.886 1.00 0.00 C ATOM 1012 O PHE A 66 -14.462 15.979 3.346 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.627 14.430 0.770 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.745 14.283 -0.720 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.717 13.466 -1.274 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.884 14.962 -1.567 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.828 13.328 -2.645 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -13.989 14.828 -2.939 1.00 0.00 C ATOM 1019 CZ PHE A 66 -14.963 14.011 -3.478 1.00 0.00 C ATOM 0 H PHE A 66 -14.720 16.932 0.403 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.676 14.922 1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.639 14.821 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.702 13.445 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.396 12.931 -0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.122 15.604 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.590 12.687 -3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.310 15.361 -3.588 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.048 13.906 -4.549 1.00 0.00 H new ATOM 1029 N SER A 67 -16.447 14.962 3.650 1.00 0.00 N ATOM 1030 CA SER A 67 -16.371 15.008 5.106 1.00 0.00 C ATOM 1031 C SER A 67 -15.189 14.188 5.614 1.00 0.00 C ATOM 1032 O SER A 67 -14.578 14.524 6.628 1.00 0.00 O ATOM 1033 CB SER A 67 -17.671 14.487 5.722 1.00 0.00 C ATOM 1034 OG SER A 67 -17.560 14.380 7.131 1.00 0.00 O ATOM 0 H SER A 67 -17.293 14.524 3.285 1.00 0.00 H new ATOM 0 HA SER A 67 -16.226 16.046 5.406 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.492 15.158 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.913 13.513 5.298 1.00 0.00 H new ATOM 0 HG SER A 67 -18.404 14.047 7.501 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.874 13.111 4.902 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.767 12.242 5.281 1.00 0.00 C ATOM 1042 C GLN A 68 -13.187 11.534 4.060 1.00 0.00 C ATOM 1043 O GLN A 68 -13.824 11.467 3.009 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.230 11.210 6.311 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.551 10.548 5.957 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.306 10.062 7.179 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -16.027 10.480 8.302 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -17.269 9.173 6.965 1.00 0.00 N ATOM 0 H GLN A 68 -15.370 12.820 4.060 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.987 12.862 5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.464 10.441 6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.325 11.696 7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.172 11.256 5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.364 9.705 5.291 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.467 8.854 6.017 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.811 8.810 7.749 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.975 11.008 4.207 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.310 10.305 3.117 1.00 0.00 C ATOM 1059 C VAL A 69 -12.070 9.040 2.734 1.00 0.00 C ATOM 1060 O VAL A 69 -12.171 8.698 1.556 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.864 9.929 3.491 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.025 9.722 2.239 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.250 10.997 4.384 1.00 0.00 C ATOM 0 H VAL A 69 -11.434 11.056 5.070 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.292 10.986 2.266 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.883 8.991 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.007 9.457 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.456 8.919 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.011 10.642 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.228 10.715 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.243 11.951 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.839 11.091 5.297 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.604 8.351 3.737 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.355 7.123 3.505 1.00 0.00 C ATOM 1075 C GLU A 70 -14.433 7.336 2.446 1.00 0.00 C ATOM 1076 O GLU A 70 -14.954 6.379 1.873 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.993 6.635 4.807 1.00 0.00 C ATOM 1078 CG GLU A 70 -12.982 6.210 5.859 1.00 0.00 C ATOM 1079 CD GLU A 70 -12.439 7.381 6.653 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -13.127 7.830 7.594 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -11.326 7.850 6.334 1.00 0.00 O ATOM 0 H GLU A 70 -12.531 8.622 4.718 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.660 6.365 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.618 7.429 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.651 5.794 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.450 5.499 6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.156 5.690 5.374 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.762 8.598 2.192 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.777 8.938 1.202 1.00 0.00 C ATOM 1090 C ASP A 71 -15.438 8.331 -0.155 1.00 0.00 C ATOM 1091 O ASP A 71 -16.307 7.788 -0.840 1.00 0.00 O ATOM 1092 CB ASP A 71 -15.909 10.457 1.077 1.00 0.00 C ATOM 1093 CG ASP A 71 -16.548 11.086 2.299 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -16.708 10.378 3.316 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -16.888 12.286 2.240 1.00 0.00 O ATOM 0 H ASP A 71 -14.341 9.402 2.658 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.728 8.525 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.922 10.893 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.505 10.696 0.196 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.170 8.427 -0.540 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.715 7.888 -1.817 1.00 0.00 C ATOM 1102 C LEU A 72 -14.410 6.566 -2.129 1.00 0.00 C ATOM 1103 O LEU A 72 -14.683 6.256 -3.288 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.199 7.687 -1.798 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.354 8.961 -1.821 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.973 8.675 -2.390 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -12.049 10.049 -2.627 1.00 0.00 C ATOM 0 H LEU A 72 -13.439 8.873 0.014 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.971 8.605 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.939 7.118 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.923 7.076 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.237 9.314 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.386 9.593 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.472 7.930 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.070 8.297 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.433 10.948 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.197 9.705 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.016 10.274 -2.176 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.695 5.793 -1.086 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.360 4.505 -1.249 1.00 0.00 C ATOM 1121 C GLU A 73 -16.643 4.654 -2.062 1.00 0.00 C ATOM 1122 O GLU A 73 -16.894 3.887 -2.991 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.677 3.893 0.117 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.048 2.421 0.053 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.988 2.007 1.169 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -16.764 2.431 2.321 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -17.948 1.259 0.888 1.00 0.00 O ATOM 0 H GLU A 73 -14.476 6.036 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.684 3.842 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.812 4.013 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.498 4.447 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.516 2.210 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.141 1.819 0.105 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.451 5.647 -1.704 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.709 5.896 -2.397 1.00 0.00 C ATOM 1136 C ARG A 74 -18.457 6.391 -3.819 1.00 0.00 C ATOM 1137 O ARG A 74 -19.318 6.274 -4.690 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.545 6.921 -1.629 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.201 8.363 -1.966 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.205 9.331 -1.359 1.00 0.00 C ATOM 1141 NE ARG A 74 -19.808 10.723 -1.554 1.00 0.00 N ATOM 1142 CZ ARG A 74 -20.330 11.738 -0.873 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -21.264 11.516 0.041 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -19.917 12.977 -1.107 1.00 0.00 N ATOM 0 H ARG A 74 -17.257 6.292 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.258 4.956 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.600 6.749 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.405 6.763 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.202 8.595 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.180 8.490 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -21.184 9.167 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.305 9.128 -0.293 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.091 10.927 -2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.584 10.565 0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.663 12.297 0.562 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.199 13.151 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.318 13.756 -0.584 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.270 6.946 -4.045 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.904 7.459 -5.359 1.00 0.00 C ATOM 1160 C VAL A 75 -16.575 6.323 -6.320 1.00 0.00 C ATOM 1161 O VAL A 75 -15.631 5.564 -6.099 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.697 8.411 -5.274 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.235 8.815 -6.666 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -16.042 9.637 -4.442 1.00 0.00 C ATOM 0 H VAL A 75 -16.546 7.051 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.766 8.011 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.878 7.886 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.381 9.488 -6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.944 7.926 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -16.048 9.321 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -15.177 10.299 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.877 10.165 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.319 9.327 -3.435 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.359 6.212 -7.388 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.150 5.166 -8.383 1.00 0.00 C ATOM 1176 C GLU A 76 -15.678 5.078 -8.779 1.00 0.00 C ATOM 1177 O GLU A 76 -14.933 6.050 -8.660 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.007 5.432 -9.622 1.00 0.00 C ATOM 1179 CG GLU A 76 -17.888 4.355 -10.688 1.00 0.00 C ATOM 1180 CD GLU A 76 -19.111 4.279 -11.580 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -19.635 5.347 -11.962 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -19.544 3.152 -11.897 1.00 0.00 O ATOM 0 H GLU A 76 -18.144 6.833 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.447 4.215 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.051 5.518 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.720 6.391 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.008 4.551 -11.301 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.733 3.389 -10.207 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.267 3.904 -9.249 1.00 0.00 N ATOM 1190 CA GLY A 77 -13.887 3.710 -9.654 1.00 0.00 C ATOM 1191 C GLY A 77 -12.981 3.379 -8.485 1.00 0.00 C ATOM 1192 O GLY A 77 -12.136 2.488 -8.579 1.00 0.00 O ATOM 0 H GLY A 77 -15.865 3.084 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.837 2.906 -10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.525 4.613 -10.146 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.155 4.098 -7.381 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.346 3.876 -6.189 1.00 0.00 C ATOM 1198 C ILE A 78 -13.138 3.137 -5.116 1.00 0.00 C ATOM 1199 O ILE A 78 -14.060 3.692 -4.517 1.00 0.00 O ATOM 1200 CB ILE A 78 -11.827 5.204 -5.606 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.155 6.038 -6.699 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -10.858 4.937 -4.464 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -12.100 6.987 -7.402 1.00 0.00 C ATOM 0 H ILE A 78 -13.849 4.839 -7.287 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.496 3.265 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.673 5.768 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.339 6.611 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.712 5.368 -7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.500 5.885 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.367 4.379 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.012 4.356 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.555 7.545 -8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.902 6.419 -7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.524 7.682 -6.677 1.00 0.00 H new ATOM 1215 N THR A 79 -12.772 1.882 -4.876 1.00 0.00 N ATOM 1216 CA THR A 79 -13.448 1.067 -3.875 1.00 0.00 C ATOM 1217 C THR A 79 -12.777 1.201 -2.513 1.00 0.00 C ATOM 1218 O THR A 79 -11.637 1.653 -2.413 1.00 0.00 O ATOM 1219 CB THR A 79 -13.467 -0.419 -4.280 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.183 -1.184 -3.304 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.053 -0.961 -4.419 1.00 0.00 C ATOM 0 H THR A 79 -12.011 1.408 -5.362 1.00 0.00 H new ATOM 0 HA THR A 79 -14.473 1.432 -3.810 1.00 0.00 H new ATOM 0 HB THR A 79 -13.967 -0.503 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.192 -2.127 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.093 -2.012 -4.706 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.520 -0.396 -5.184 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.531 -0.864 -3.467 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.492 0.805 -1.464 1.00 0.00 N ATOM 1230 CA GLY A 80 -12.948 0.889 -0.121 1.00 0.00 C ATOM 1231 C GLY A 80 -11.582 0.243 -0.007 1.00 0.00 C ATOM 1232 O GLY A 80 -10.798 0.583 0.879 1.00 0.00 O ATOM 0 H GLY A 80 -14.438 0.428 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.877 1.936 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.634 0.407 0.576 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.295 -0.693 -0.906 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.014 -1.390 -0.903 1.00 0.00 C ATOM 1238 C LYS A 81 -8.966 -0.604 -1.685 1.00 0.00 C ATOM 1239 O LYS A 81 -7.798 -0.559 -1.300 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.171 -2.789 -1.503 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.515 -3.855 -0.477 1.00 0.00 C ATOM 1242 CD LYS A 81 -9.387 -4.052 0.522 1.00 0.00 C ATOM 1243 CE LYS A 81 -9.615 -5.285 1.384 1.00 0.00 C ATOM 1244 NZ LYS A 81 -9.254 -6.538 0.664 1.00 0.00 N ATOM 0 H LYS A 81 -11.933 -0.986 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.679 -1.480 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.951 -2.764 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.244 -3.066 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.425 -3.572 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.721 -4.797 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.441 -4.149 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.306 -3.171 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.022 -5.206 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.661 -5.328 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.423 -7.356 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.837 -6.626 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.249 -6.508 0.397 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.392 0.012 -2.782 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.489 0.796 -3.617 1.00 0.00 C ATOM 1260 C GLN A 82 -7.996 2.033 -2.872 1.00 0.00 C ATOM 1261 O GLN A 82 -6.795 2.299 -2.819 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.189 1.212 -4.912 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.293 0.091 -5.934 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.031 -0.065 -6.759 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -7.068 -0.701 -6.329 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -8.028 0.517 -7.953 1.00 0.00 N ATOM 0 H GLN A 82 -10.356 -0.016 -3.114 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.628 0.173 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.191 1.570 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.648 2.048 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.504 -0.846 -5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.135 0.287 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.848 1.034 -8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.206 0.446 -8.553 1.00 0.00 H new ATOM 1275 N MET A 83 -8.930 2.785 -2.300 1.00 0.00 N ATOM 1276 CA MET A 83 -8.589 3.993 -1.558 1.00 0.00 C ATOM 1277 C MET A 83 -7.717 3.662 -0.352 1.00 0.00 C ATOM 1278 O MET A 83 -6.856 4.451 0.037 1.00 0.00 O ATOM 1279 CB MET A 83 -9.860 4.712 -1.101 1.00 0.00 C ATOM 1280 CG MET A 83 -10.760 3.857 -0.224 1.00 0.00 C ATOM 1281 SD MET A 83 -11.909 4.840 0.759 1.00 0.00 S ATOM 1282 CE MET A 83 -10.770 5.770 1.781 1.00 0.00 C ATOM 0 H MET A 83 -9.928 2.579 -2.336 1.00 0.00 H new ATOM 0 HA MET A 83 -8.027 4.650 -2.221 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.581 5.612 -0.553 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.421 5.034 -1.978 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.323 3.167 -0.852 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.144 3.252 0.441 1.00 0.00 H new ATOM 0 HE1 MET A 83 -11.129 5.779 2.810 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.785 5.305 1.744 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.702 6.793 1.412 1.00 0.00 H new ATOM 1292 N GLU A 84 -7.946 2.492 0.236 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.180 2.059 1.399 1.00 0.00 C ATOM 1294 C GLU A 84 -5.687 2.020 1.084 1.00 0.00 C ATOM 1295 O GLU A 84 -4.881 2.655 1.763 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.651 0.679 1.862 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.780 0.731 2.878 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.295 1.075 4.273 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.342 0.421 4.747 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -8.867 1.998 4.889 1.00 0.00 O ATOM 0 H GLU A 84 -8.655 1.827 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.346 2.779 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.980 0.107 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.807 0.143 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.515 1.470 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.287 -0.234 2.901 1.00 0.00 H new ATOM 1307 N SER A 85 -5.327 1.268 0.048 1.00 0.00 N ATOM 1308 CA SER A 85 -3.931 1.142 -0.355 1.00 0.00 C ATOM 1309 C SER A 85 -3.326 2.510 -0.655 1.00 0.00 C ATOM 1310 O SER A 85 -2.127 2.725 -0.473 1.00 0.00 O ATOM 1311 CB SER A 85 -3.814 0.239 -1.585 1.00 0.00 C ATOM 1312 OG SER A 85 -3.912 -1.128 -1.225 1.00 0.00 O ATOM 0 H SER A 85 -5.982 0.738 -0.527 1.00 0.00 H new ATOM 0 HA SER A 85 -3.379 0.694 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.600 0.488 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.862 0.420 -2.083 1.00 0.00 H new ATOM 0 HG SER A 85 -3.836 -1.684 -2.028 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.164 3.432 -1.115 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.713 4.780 -1.442 1.00 0.00 C ATOM 1320 C PHE A 86 -3.334 5.548 -0.179 1.00 0.00 C ATOM 1321 O PHE A 86 -2.187 5.968 -0.015 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.805 5.536 -2.202 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.746 7.025 -2.013 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.563 7.716 -2.218 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.874 7.733 -1.631 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.506 9.086 -2.045 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.823 9.104 -1.456 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.638 9.781 -1.664 1.00 0.00 C ATOM 0 H PHE A 86 -5.159 3.271 -1.270 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.830 4.697 -2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.720 5.309 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.780 5.175 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.675 7.178 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.804 7.208 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.577 9.613 -2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.709 9.644 -1.157 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.596 10.852 -1.529 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.303 5.727 0.711 1.00 0.00 N ATOM 1339 CA LEU A 87 -4.072 6.444 1.961 1.00 0.00 C ATOM 1340 C LEU A 87 -2.690 6.127 2.523 1.00 0.00 C ATOM 1341 O LEU A 87 -1.958 7.023 2.944 1.00 0.00 O ATOM 1342 CB LEU A 87 -5.148 6.082 2.986 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.465 6.853 2.878 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.611 6.035 3.453 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.357 8.195 3.586 1.00 0.00 C ATOM 0 H LEU A 87 -5.257 5.386 0.591 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.123 7.513 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.365 5.018 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.739 6.240 3.984 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.671 7.037 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.540 6.599 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.703 5.099 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.413 5.819 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.303 8.730 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.127 8.033 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.563 8.785 3.128 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.339 4.846 2.526 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.043 4.408 3.033 1.00 0.00 C ATOM 1359 C LYS A 88 0.090 4.941 2.162 1.00 0.00 C ATOM 1360 O LYS A 88 1.020 5.576 2.657 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.983 2.880 3.088 1.00 0.00 C ATOM 1362 CG LYS A 88 0.349 2.341 3.581 1.00 0.00 C ATOM 1363 CD LYS A 88 0.344 0.823 3.651 1.00 0.00 C ATOM 1364 CE LYS A 88 0.746 0.203 2.321 1.00 0.00 C ATOM 1365 NZ LYS A 88 2.219 0.250 2.109 1.00 0.00 N ATOM 0 H LYS A 88 -2.934 4.092 2.183 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.922 4.806 4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.777 2.517 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.181 2.481 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.146 2.673 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.566 2.751 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.030 0.491 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.650 0.474 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.407 -0.832 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.245 0.730 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.455 -0.212 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.535 1.241 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.698 -0.246 2.888 1.00 0.00 H new ATOM 1379 N ALA A 89 0.004 4.679 0.862 1.00 0.00 N ATOM 1380 CA ALA A 89 1.021 5.135 -0.078 1.00 0.00 C ATOM 1381 C ALA A 89 1.573 6.496 0.329 1.00 0.00 C ATOM 1382 O ALA A 89 2.785 6.678 0.437 1.00 0.00 O ATOM 1383 CB ALA A 89 0.448 5.195 -1.486 1.00 0.00 C ATOM 0 H ALA A 89 -0.759 4.153 0.436 1.00 0.00 H new ATOM 0 HA ALA A 89 1.843 4.419 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.218 5.537 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.108 4.203 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.393 5.888 -1.507 1.00 0.00 H new ATOM 1389 N ASN A 90 0.676 7.451 0.553 1.00 0.00 N ATOM 1390 CA ASN A 90 1.075 8.798 0.947 1.00 0.00 C ATOM 1391 C ASN A 90 1.379 8.860 2.440 1.00 0.00 C ATOM 1392 O ASN A 90 2.489 9.207 2.844 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.026 9.801 0.597 1.00 0.00 C ATOM 1394 CG ASN A 90 0.130 10.365 -0.802 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.091 9.669 -1.793 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.513 11.634 -0.889 1.00 0.00 N ATOM 0 H ASN A 90 -0.332 7.317 0.469 1.00 0.00 H new ATOM 0 HA ASN A 90 1.981 9.057 0.399 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.998 9.315 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.013 10.618 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.635 12.068 -1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.685 12.174 -0.041 1.00 0.00 H new ATOM 1403 N ILE A 91 0.386 8.520 3.255 1.00 0.00 N ATOM 1404 CA ILE A 91 0.548 8.536 4.704 1.00 0.00 C ATOM 1405 C ILE A 91 1.936 8.053 5.107 1.00 0.00 C ATOM 1406 O ILE A 91 2.723 8.803 5.686 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.511 7.658 5.398 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.874 8.352 5.377 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.089 7.350 6.827 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.014 7.457 5.810 1.00 0.00 C ATOM 0 H ILE A 91 -0.539 8.230 2.937 1.00 0.00 H new ATOM 0 HA ILE A 91 0.419 9.570 5.025 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.595 6.717 4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.839 9.224 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.072 8.717 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.847 6.729 7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.863 6.819 6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.020 8.281 7.383 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.950 8.015 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.076 6.598 5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.839 7.113 6.829 1.00 0.00 H new ATOM 1422 N LEU A 92 2.233 6.796 4.796 1.00 0.00 N ATOM 1423 CA LEU A 92 3.529 6.212 5.124 1.00 0.00 C ATOM 1424 C LEU A 92 4.658 6.964 4.427 1.00 0.00 C ATOM 1425 O LEU A 92 5.785 7.007 4.917 1.00 0.00 O ATOM 1426 CB LEU A 92 3.561 4.736 4.724 1.00 0.00 C ATOM 1427 CG LEU A 92 2.741 3.786 5.597 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.877 2.354 5.101 1.00 0.00 C ATOM 1429 CD2 LEU A 92 3.172 3.892 7.052 1.00 0.00 C ATOM 0 H LEU A 92 1.594 6.162 4.317 1.00 0.00 H new ATOM 0 HA LEU A 92 3.674 6.294 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.206 4.651 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.598 4.401 4.732 1.00 0.00 H new ATOM 0 HG LEU A 92 1.692 4.074 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.287 1.692 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.518 2.289 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.924 2.054 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.577 3.209 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.227 3.630 7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.021 4.913 7.403 1.00 0.00 H new ATOM 1441 N GLY A 93 4.345 7.559 3.279 1.00 0.00 N ATOM 1442 CA GLY A 93 5.343 8.304 2.534 1.00 0.00 C ATOM 1443 C GLY A 93 5.688 9.627 3.188 1.00 0.00 C ATOM 1444 O GLY A 93 6.800 10.133 3.035 1.00 0.00 O ATOM 0 H GLY A 93 3.419 7.538 2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.247 7.702 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.976 8.486 1.524 1.00 0.00 H new ATOM 1448 N LEU A 94 4.732 10.190 3.918 1.00 0.00 N ATOM 1449 CA LEU A 94 4.939 11.464 4.598 1.00 0.00 C ATOM 1450 C LEU A 94 6.128 11.387 5.550 1.00 0.00 C ATOM 1451 O LEU A 94 6.971 12.283 5.580 1.00 0.00 O ATOM 1452 CB LEU A 94 3.679 11.864 5.369 1.00 0.00 C ATOM 1453 CG LEU A 94 2.534 12.437 4.533 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.196 12.159 5.198 1.00 0.00 C ATOM 1455 CD2 LEU A 94 2.726 13.932 4.320 1.00 0.00 C ATOM 0 H LEU A 94 3.806 9.785 4.054 1.00 0.00 H new ATOM 0 HA LEU A 94 5.151 12.220 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.310 10.988 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.957 12.601 6.122 1.00 0.00 H new ATOM 0 HG LEU A 94 2.540 11.947 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.393 12.574 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.056 11.083 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.178 12.620 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.902 14.323 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.747 14.437 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.667 14.107 3.799 1.00 0.00 H new